9GUJ

Crystal structure of transcription factor NtcA from Synechococcus elongatus in complex with its transcriptional co- activator PipX and its target DNA (Crystal II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9772
Spacegroup name	I 4
Unit cell lengths	165.710, 165.710, 177.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.860 - 4.300
R-factor	0.28528
Rwork	0.284
R-free	0.31614
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.614
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.900	4.530
High resolution limit [Å]	4.300	4.300
Number of reflections	16116	16116
<I/σ(I)>	4.8
Completeness [%]	98.5
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	PipX-NtcA-DNA complex was in 50 mM sodium citrate pH 6.5, 0.5 M NaCl, 5 mM magnesium cloride, 50 mM arginine hydrocloride, 50 mM Na L-glutamate and 10mM 2-oxoglutarate. CRYSTALLIZATION SOLUTION: 0,1M Tris-HCL pH 8,5, 2M ammonium phosphate and 0,1M ZnCl2. Cryo protectant: 4M KCL